2-(6-iodo-2H-indazol-3-yl)ethanamine

C9H10IN3 — CID 76846285

IUPAC2-(6-iodo-2H-indazol-3-yl)ethanamine
SMILESNCCc1[nH]nc2cc(I)ccc12
InChIInChI=1S/C9H10IN3/c10-6-1-2-7-8(3-4-11)12-13-9(7)5-6/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyWXRWJVJEGIMWFK-UHFFFAOYSA-N
MW287.10 g/mol
LogP1.67
Rot. Bonds2

About 2-(6-iodo-2H-indazol-3-yl)ethanamine

2-(6-iodo-2H-indazol-3-yl)ethanamine (PubChem CID 76846285) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 2-(6-iodo-2H-indazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-iodo-2H-indazol-3-yl)ethanamine
PubChem CID76846285
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC Name2-(6-iodo-2H-indazol-3-yl)ethanamine
SMILESNCCc1[nH]nc2cc(I)ccc12
InChIInChI=1S/C9H10IN3/c10-6-1-2-7-8(3-4-11)12-13-9(7)5-6/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyWXRWJVJEGIMWFK-UHFFFAOYSA-N
XLogP1.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-iodo-2H-indazol-3-yl)ethanamine?
The IUPAC name of 2-(6-iodo-2H-indazol-3-yl)ethanamine (CID 76846285) is 2-(6-iodo-2H-indazol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-iodo-2H-indazol-3-yl)ethanamine?
The canonical SMILES for 2-(6-iodo-2H-indazol-3-yl)ethanamine is NCCc1[nH]nc2cc(I)ccc12.
What is the InChIKey of 2-(6-iodo-2H-indazol-3-yl)ethanamine?
The InChIKey is WXRWJVJEGIMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3/c10-6-1-2-7-8(3-4-11)12-13-9(7)5-6/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of 2-(6-iodo-2H-indazol-3-yl)ethanamine?
2-(6-iodo-2H-indazol-3-yl)ethanamine has a molecular weight of 287.10 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodo-2H-indazol-3-yl)ethanamine is sourced from PubChem (CID 76846285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).